SCHEMBL1223902

SCHEMBL1223902

COc1ccc2nccc(N3C[C@H](NC4OC(=O)N(c5ccc6c(c5)NC(=O)CO6)[C@@H]4C)[C@@H](OC)C3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.37
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
NR3C2 P08235 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1223900 1.00 KCNH2 (0.37) KCNH2DRD2DRD4NR3C2
SCHEMBL3667724 0.85 KCNH2 (0.37) KCNH2
SCHEMBL1224363 0.84 KCNH2 (0.39) KCNH2
SCHEMBL1223105 0.84 KCNH2 (0.39) KCNH2
SCHEMBL3666412 0.78 KCNH2 (0.40) KCNH2
SCHEMBL1224376 0.77 KCNH2 (0.41) KCNH2
SCHEMBL1224378 0.77 KCNH2 (0.41) KCNH2
SCHEMBL1223940 0.75 DRD2 (0.42) KCNH2DRD2DRD4
SCHEMBL1223298 0.75 DRD2 (0.42) KCNH2DRD2DRD4
SCHEMBL1223112 0.75 KCNH2 (0.35) KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 KCNH2 912/4885DRD2 78/4885DRD4 60/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.